![CAS 701897-99-6 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/701897-99-6.gif)
CAS RN: 701897-99-6
1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260313 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-179990
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
701897-99-6 / 1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
Basic Information
CAS
701897-99-6
Multi CAS
No
Molecular Formula
C8H15N3O
Molecular Weight
169.220000
Exact Mass
169.121512
InChI
InChI=1S/C8H15N3O/c1-11-6-10-7(12)8(11)2-4-9-5-3-8/h9H,2-6H2,1H3,(H,10,12)
InChIKey
OZLOEARQCOUQKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.61
TPSA
44.37
LogP / Solubility
WLOGP
-0.87
MLOGP
-0.77
XLogP3
-0.6
Consensus LogP
-0.75
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.32
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.04
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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